5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one

C15H26N2O2 — CID 22984926

IUPAC5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC2CCCCCO2)C1=O
InChIInChI=1S/C15H26N2O2/c1-16-14-8-11-7-12(11)9-17(15(14)18)10-13-5-3-2-4-6-19-13/h11-14,16H,2-10H2,1H3
InChIKeyORDFWOKTUAJSFI-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.40
Rot. Bonds3

About 5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one

5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 22984926) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
PubChem CID22984926
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC2CCCCCO2)C1=O
InChIInChI=1S/C15H26N2O2/c1-16-14-8-11-7-12(11)9-17(15(14)18)10-13-5-3-2-4-6-19-13/h11-14,16H,2-10H2,1H3
InChIKeyORDFWOKTUAJSFI-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyclopropyl-1-methoxypropan-2-yl)-7-oxoazepane-2-carboxamide
CID 122152111
3-(2-Hydroxypropyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 22984887
3-(Methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one
CID 22984904
5-(Methylamino)-3-(oxetan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984927
5-(Methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984929
5-(Methylamino)-3-(oxolan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984930
5-(Methylamino)-3-(oxan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984932
5-(Methylamino)-3-(oxan-4-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 22984934
4-Methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one
CID 22985060
4-Methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one
CID 22985067
3-(Methylamino)-1-(oxepan-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 22985081
3-(2-Methoxyethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 22985094

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one (CID 22984926) is 5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one is CNC1CC2CC2CN(CC2CCCCCO2)C1=O.
What is the InChIKey of 5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is ORDFWOKTUAJSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-16-14-8-11-7-12(11)9-17(15(14)18)10-13-5-3-2-4-6-19-13/h11-14,16H,2-10H2,1H3.
What are the key properties of 5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 266.38 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 22984926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).